Title: Prediction of Compounds in Different Local SAR Environments using ECP

Type Dataset Namasivayam, Vigneshwaran, Gupta-Ostermann, Disha, Balfer, Jenny, Heikamp, Kathrin, Bajorath, Jürgen (2014): Prediction of Compounds in Different Local SAR Environments using ECP. Zenodo. Dataset. https://zenodo.org/record/8626

Authors: Namasivayam, Vigneshwaran (Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, D-53113 Bonn, Germany.) ; Gupta-Ostermann, Disha (Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, D-53113 Bonn, Germany.) ; Balfer, Jenny (Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, D-53113 Bonn, Germany.) ; Heikamp, Kathrin (Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, D-53113 Bonn, Germany.) ; Bajorath, Jürgen (Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, D-53113 Bonn, Germany.) ;

Links

• Item record in Zenodo
• Digital object URL

Summary

SD files of 15 data sets reported in the manuscript are uploaded. Each data set is represented by its CHEMBL Target ID. The file format is provided in the file 'description.txt'.

More information

• DOI: 10.5281/zenodo.8626

Dates

• Publication date: 2014
• Issued: April 17, 2014

Rights

• https://creativecommons.org/publicdomain/zero/1.0/legalcode Creative Commons Zero v1.0 Universal
• info:eu-repo/semantics/openAccess Open Access

Format

electronic resource

Relateditems